1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone

C19H24N2O3 — CID 141217877

IUPAC1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone
SMILESCCOC1CCCN(C(=O)COc2ccnc3cc(C)ccc23)C1
InChIInChI=1S/C19H24N2O3/c1-3-23-15-5-4-10-21(12-15)19(22)13-24-18-8-9-20-17-11-14(2)6-7-16(17)18/h6-9,11,15H,3-5,10,12-13H2,1-2H3
InChIKeyHUZDZQAGRVSBBF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone

1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone (PubChem CID 141217877) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone
PubChem CID141217877
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone
SMILESCCOC1CCCN(C(=O)COc2ccnc3cc(C)ccc23)C1
InChIInChI=1S/C19H24N2O3/c1-3-23-15-5-4-10-21(12-15)19(22)13-24-18-8-9-20-17-11-14(2)6-7-16(17)18/h6-9,11,15H,3-5,10,12-13H2,1-2H3
InChIKeyHUZDZQAGRVSBBF-UHFFFAOYSA-N
XLogP2.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone with MolForge

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Related Compounds

butyl 4-[2-[[4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 68599976
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone
CID 141330626
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone (CID 141217877) is 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone is CCOC1CCCN(C(=O)COc2ccnc3cc(C)ccc23)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone?
The InChIKey is HUZDZQAGRVSBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-15-5-4-10-21(12-15)19(22)13-24-18-8-9-20-17-11-14(2)6-7-16(17)18/h6-9,11,15H,3-5,10,12-13H2,1-2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone?
1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone has a molecular weight of 328.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone is sourced from PubChem (CID 141217877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).